Sugi Predict

Sugi Predict / Compounds / SCHEMBL446561

SCHEMBL446561

SCHEMBL446561

CC(Cc1ccc(C#N)cc1)(NC(=O)C1CCCN(CC(c2ccccc2)c2ccccc2)C1)c1cnc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.40
▸ CCR5 P51681 3/20 0.40
▸ CYP19A1 P11511 2/20 0.39
▸ CCR2 P41597 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ GPBAR1 Q8TDU6 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ERG P11308 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8095471 0.96 ATM (0.39) ALOX12CCR5CYP19A1CCR2KMT2A
SCHEMBL8095891 0.94 SMN1; SMN2 (0.39) ALOX12CCR5CYP19A1CCR2KMT2A
SCHEMBL8097934 0.94 KMT2A (0.46) ALOX12CCR5CYP19A1CCR2KMT2A
SCHEMBL8097458 0.94 ALOX12 (0.36) ALOX12CCR5CYP19A1CCR2KMT2A
SCHEMBL8101381 0.94 CCR5 (0.38) ALOX12CCR5CYP19A1CCR2KMT2A
SCHEMBL8095564 0.93 ALOX12 (0.36) ALOX12CCR5CYP19A1CCR2KMT2A
SCHEMBL8088418 0.93 CYP2C9 (0.40) ALOX12CCR5CYP19A1CCR2KMT2A
SCHEMBL8104356 0.92 CCR5 (0.39) ALOX12CCR5CYP19A1CCR2KMT2A
SCHEMBL8095905 0.91 GSK3B (0.38) ALOX12GPBAR1L3MBTL1ERG
SCHEMBL8095399 0.90 CYP3A4 (0.44) CCR2KMT2ACYP2D6L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 427 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. 2014-10-09 — — US claimed
US-8779171-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2014-07-15 — — US claimed
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2013-06-06 — — US claimed
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 — — EP claimed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 — — EP claimed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 — — WO claimed
US-20260000691-A1 COMPOUNDS, METHODS, AND TREATMENTS FOR ABNORMAL SIGNALING PATHWAYS FOR PRENATAL AND POSTNATAL DEVELOPMENT JENNINGS BARBARA BROOKE (US) 2026-01-01 — — US disclosed
US-12329766-B2 Compounds, methods, and treatments for abnormal signaling pathways for prenatal and postnatal development JENNINGS BARBARA BROOKE (US) 2025-06-17 — — US disclosed
EP-4552697-A2 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2025-05-14 — — EP disclosed
EP-3514151-B1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2025-04-23 — — EP disclosed
US-20240308979-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2024-09-19 — — US disclosed
US-20220110954-A1 COMPOUNDS, METHODS, AND TREATMENTS FOR ABNORMAL SIGNALING PATHWAYS FOR PRENATAL AND POSTNATAL DEVELOPMENT JENNINGS BARBARA BROOKE (US) 2022-04-14 — — US disclosed
CN-108289922-B Therapeutic methods and compositions for treating non-small cell lung cancer 友杏生技医药股份有限公司 2022-02-08 — — CN disclosed
WO-2001028993-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2001-04-26 — — WO disclosed
WO-2001029025-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-04-26 — — WO disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 — — WO disclosed
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 — — US disclosed
WO-2000053605-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2000-09-14 — — WO disclosed
WO-2000016778-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 — — WO disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240308979-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE PRKCA, PRKCB, PRKCH ALOX12 3894/4885CCR5 2109/4885CYP19A1 3767/4885
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 ALOX12 3623/4885CCR5 1411/4885CYP19A1 4395/4885
US-20220110954-A1 COMPOUNDS, METHODS, AND TREATMENTS FOR ABNORMAL SIGNALING PATHWAYS FOR PRENATAL AND POSTNATAL DEVELOPMENT PDK1, PKM, PDK2 ALOX12 4398/4885CCR5 1716/4885CYP19A1 985/4885
US-20260000691-A1 COMPOUNDS, METHODS, AND TREATMENTS FOR ABNORMAL SIGNALING PATHWAYS FOR PRENATAL AND POSTNATAL DEVELOPMENT PDK1, IP6K1, IP6K3 ALOX12 4584/4885CCR5 1529/4885CYP19A1 2733/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 ALOX12 3623/4885CCR5 1411/4885CYP19A1 4395/4885
US-12329766-B2 Compounds, methods, and treatments for abnormal signaling pathways for prenatal and postnatal development PDK1, PKM, PDK2 ALOX12 4398/4885CCR5 1716/4885CYP19A1 985/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.